3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine; ethanedioic acid

Systemtic Name: 3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine; ethanedioic acid Openeye Name: 3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine; oxalic acid CAS Name: 3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-propanamine; oxalic acid IUPAC Name: 3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-amine; oxalic acid Traditional Name: 3-[(5-cyclohexyl-1-phenyl-1,2,4-triazol-3-yl)thio]propylamine; oxalic acid Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCCCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C2=NC(=NN2C3=CC=CC=C3)SCCCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N4S.C2H2O4/c18-12-7-13-22-17-19-16(14-8-3-1-4-9-14)21(20-17)15-10-5-2-6-11-15;3-1(4)2(5)6/h2,5-6,10-11,14H,1,3-4,7-9,12-13,18H2;(H,3,4)(H,5,6)